3-[benzyl(methyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one

C15H16ClNOS — CID 46231951

IUPAC3-[benzyl(methyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
SMILESCN(CCC(=O)c1ccc(Cl)s1)Cc1ccccc1
InChIInChI=1S/C15H16ClNOS/c1-17(11-12-5-3-2-4-6-12)10-9-13(18)14-7-8-15(16)19-14/h2-8H,9-11H2,1H3
InChIKeyXFMQGXMILHCDAU-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.11
Rot. Bonds6

About 3-[benzyl(methyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one

3-[benzyl(methyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one (PubChem CID 46231951) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
PubChem CID46231951
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name3-[benzyl(methyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
SMILESCN(CCC(=O)c1ccc(Cl)s1)Cc1ccccc1
InChIInChI=1S/C15H16ClNOS/c1-17(11-12-5-3-2-4-6-12)10-9-13(18)14-7-8-15(16)19-14/h2-8H,9-11H2,1H3
InChIKeyXFMQGXMILHCDAU-UHFFFAOYSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one?
The IUPAC name of 3-[benzyl(methyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one (CID 46231951) is 3-[benzyl(methyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one.
What is the SMILES notation for 3-[benzyl(methyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one?
The canonical SMILES for 3-[benzyl(methyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one is CN(CCC(=O)c1ccc(Cl)s1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one?
The InChIKey is XFMQGXMILHCDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-17(11-12-5-3-2-4-6-12)10-9-13(18)14-7-8-15(16)19-14/h2-8H,9-11H2,1H3.
What are the key properties of 3-[benzyl(methyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one?
3-[benzyl(methyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one has a molecular weight of 293.82 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one is sourced from PubChem (CID 46231951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).